Projects

Dynamics

• A2: Dynamically consistent coarse-grained models
• A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
• A4: Understanding water relaxation dynamics at interfaces
• A5: Heat transfer in polymer nanocomposites
• A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids
• A7: Dynamical coarse-graining for non-equilibrium steady sates with stochastic dynamics

Particle based coarse-graining and mixed resolution schemes

• B1: Inverse Problems in Coarse-Grained Particle Simulations
• B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
• B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations
• B4: Adaptive resolution simulations with general configurational Hamiltonians

Bridging the particle-continuum gap

• C1: Hybrid particle/field models of macromolecular systems with adaptive resolution
• C3: Spinodal decomposition of polymer-solvent systems
• C4: Nonlocal electrostatics of biomolecular systems
• C5: Adaptive hybrid multiscale simulations of soft matter fluids
• C6: Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles

Central service project G

• G: Central soft matter simulation platform